1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

C14H20FNS2 — CID 105374162

IUPAC1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1CSCCS1
InChIInChI=1S/C14H20FNS2/c1-10-3-4-12(15)7-11(10)8-13(16-2)14-9-17-5-6-18-14/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3
InChIKeyHOTBCGVCBUGNOJ-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.11
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105374162) has the molecular formula C14H20FNS2 and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105374162
Molecular FormulaC14H20FNS2
Molecular Weight285.45 g/mol
Exact Mass285.10
IUPAC Name1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)C1CSCCS1
InChIInChI=1S/C14H20FNS2/c1-10-3-4-12(15)7-11(10)8-13(16-2)14-9-17-5-6-18-14/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3
InChIKeyHOTBCGVCBUGNOJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374018
1-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 79966631
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105374162) is 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is HOTBCGVCBUGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS2/c1-10-3-4-12(15)7-11(10)8-13(16-2)14-9-17-5-6-18-14/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 285.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105374162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).